3ZJN
 
 | | M.acetivorans protoglobin in complex with cyanide | | Descriptor: | CYANIDE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M. | | Deposit date: | 2013-01-18 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
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1D0U
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1JAQ
 | | COMPLEX OF 1-HYDROXYLAMINE-2-ISOBUTYLMALONYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide, ... | | Authors: | Grams, F, Reinemer, P, Powers, J.C, Kleine, T, Piper, M, Tschesche, H, Huber, R, Bode, W. | | Deposit date: | 1996-03-11 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structures of human neutrophil collagenase complexed with peptide hydroxamate and peptide thiol inhibitors. Implications for substrate binding and rational drug design.
Eur.J.Biochem., 228, 1995
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5T72
 | | Human carboanhydrase F131C_C206S double mutant in complex with 2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, ... | | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | | Deposit date: | 2016-09-02 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
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6GVG
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | | Descriptor: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | Deposit date: | 2018-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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3ZBS
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, crystallized with 2'-AMPS | | Descriptor: | 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, 2'-O-(sulfidophosphinato)adenosine, ... | | Authors: | Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P. | | Deposit date: | 2012-11-13 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
J.Mol.Biol., 425, 2013
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3F34
 | | Apoferritin: complex with 2,6-diethylphenol | | Descriptor: | 2,6-diethylphenol, ACETATE ION, CADMIUM ION, ... | | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | | Deposit date: | 2008-10-30 | | Release date: | 2009-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
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6FMB
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3ZEA
 | | 3D structure of the NiFeSe hydrogenase from D. vulgaris Hildenborough in the reduced state at 1.82 Angstroms | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, HYDROSULFURIC ACID, ... | | Authors: | Marques, M.C, Coelho, R, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2012-12-03 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Redox State-Dependent Changes in the Crystal Structure of [Nifese] Hydrogenase from Desulfovibrio Vulgaris Hildenborough
Int.J.Hydrogen Energy, 38, 2013
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6AX9
 | | F95N Epi-isozizaene synthase | | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Blank, P.N, Barrow, G.H, Christianson, D.W. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017
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6FOM
 | | Copper transporter OprC | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Putative copper transport outer membrane porin OprC | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2018-02-07 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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5FGY
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5YL4
 | | CRYSTAL STRUCTURE OF T2R-TTL-8WR COMPLEX | | Descriptor: | (3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Fu, Z.Y, Li, W.B, Chu, Y.Y, Hou, Y.W, Ji, C.P. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Design, synthesis and biological activity evaluation of plinabulin derivatives based on co-crystal structure
To Be Published
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6FP9
 | | Crystal structure of anti-mTFP1 DARPin 1238_E11 | | Descriptor: | 1,2-ETHANEDIOL, DARPin 1238_E11, SULFATE ION | | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | Deposit date: | 2018-02-09 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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3SFI
 | | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | | Descriptor: | 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family) | | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | | Deposit date: | 2011-06-13 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
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2FGO
 | | Structure of the 2[4FE-4S] ferredoxin from Pseudomonas aeruginosa | | Descriptor: | Ferredoxin, IRON/SULFUR CLUSTER | | Authors: | Giastas, P, Pinotsis, N, Mavridis, I.M. | | Deposit date: | 2005-12-22 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | The structure of the 2[4Fe-4S] ferredoxin from Pseudomonas aeruginosa at 1.32-A resolution: comparison with other high-resolution structures of ferredoxins and contributing structural features to reduction potential values.
J.Biol.Inorg.Chem., 11, 2006
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3ZJJ
 | | Phe(93)E11Leu mutation of M.acetivorans protoglobin in complex with cyanide | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYANIDE ION, GLYCEROL, ... | | Authors: | Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M. | | Deposit date: | 2013-01-18 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
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5FIE
 | | Crystal structure of N-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG | | Descriptor: | Cell surface protein SpaA, SODIUM ION | | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | | Deposit date: | 2015-12-23 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
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4LCG
 | | Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-050 complex | | Descriptor: | (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Lee, C.-J, Zhou, P. | | Deposit date: | 2013-06-21 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.568 Å) | | Cite: | Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
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3MJZ
 | | The crystal structure of native FG41 MSAD | | Descriptor: | FG41 Malonate Semialdehyde Decarboxylase | | Authors: | Guo, Y, Serrano, H, Poelarends, G.J, Johnson, W.H.Jr, Hackert, M.L, Whitman, C.P. | | Deposit date: | 2010-04-13 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities.
Biochemistry, 52, 2013
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4KXM
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6H0Z
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067
To be published
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6FLZ
 | | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with methyl-mannose. | | Descriptor: | CITRIC ACID, Jacalin-like lectin, methyl alpha-D-mannopyranoside | | Authors: | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | | Deposit date: | 2018-01-29 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
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6B5F
 | | Crystal structure of nicotinate mononucleotide-5,6-dimethylbenzimidazole phosphoribosyltransferase CobT from Yersinia enterocolitica | | Descriptor: | CHLORIDE ION, GLYCEROL, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, ... | | Authors: | Stogios, P.J, Skarina, T, McChesney, C, Grimshaw, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-09-29 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of nicotinate mononucleotide-5,6-dimethylbenzimidazole phosphoribosyltransferase CobT from Yersinia enterocolitica
To Be Published
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5TLW
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